The conformations of eight neo-confused porphyrin (neo-CP) structures and seven related benzo-neo-confused porphyrins (B-neo-CPs) were minimized using DFT-B3LYP/6-311++G(d,p). In addition, in order to provide contrasts to the B-neo-CP tautomers, a series of twelve benzoporphyrin (BP) tautomers and twelve benzocarbaporphyrins (BCPs) were also analyzed, and two N-confused porphyrin (NCP) tautomer...

Maritime pine (Pinus pinaster) sawdust was used to produce liquefied wood by the polyhydric method with acid catalysis. The process was optimized to produce the highest amount of liquefied wood. Wood liquefied at 160oC for 90 min was used in the adhesion tests. The bond strength of veneer glued with ureaformaldehyde and melamine-urea-formaldehyde resins and several mixtures of liquefied wood wi...

Aiming at the lack of a precise discrete element model in simulation analysis corn straw crushing, this paper established bond models with different structure and particle properties based on Hertz-Mindlin bonding, verified by combining physical test optimization design methods. Firstly, study generates bonded bonding for epidermis-epidermis, inner flesh-internal flesh, epidermis-internal respe...

Unsaturated fatty acid esters derived from seed oils undergo metathesis at the C=C bond to give new internal and terminal olefins of interest in chemical manufacturing. The key to realizing this industrial opportunity is the ability to deploy catalysts that tolerate functional groups and remain reactive towards internal olefins even at high conversions. Recent developments in catalyst and react...

The title complex, C17H9N5*C6H4S4, contains pi-deficient bis(dinitrile) and TTF molecules stacked alternately in columns along the a-axis direction; the interplanar angle between the TTF molecule and the isoindolinyl C4N[C(CN)2]2 moiety is 1.21 (4) degrees. The N-allyl moiety in the TCPI molecule is oriented at an angle of 87.10 (10) degrees with respect to the five-membered C4N ring, and the f...

The Causally Dynamic Hybrid Bond Graph is extended to the case of modeswitching behaviour. Mode-switching ‘trees’ of switches and elements are historically used by bond graph practitioners to represent elements with piecewise-continuous functions. This case is defined as ‘parametric switching’ for the purposes of the hybrid bond graph, since the switching is internal to the element, as opposed ...

Quantum calculations are used to examine how various constituent components of a large molecule contribute to the formation of an internal CH···O H-bond. Such a bond is present in the interaction between two amide units, connected together by a series of functional groups. Each group is removed one at a time, so as to monitor the effect of each upon the H-bond, and thereby learn the bare essent...

Spectroscopic investigations of macromolecules generally attempt to interpret the measured spectra in terms of the summed contributions of the different molecular fragments. This is the basis of the local mode approximation in vibrational spectroscopy. In the case of resonance Raman spectroscopy independent contributions of molecular fragments require both a local mode-like behavior and the unc...

In order to determine the quantitative relationship between sheet strength and lignin coverage at the fiber surface, CTMP was blended with softwood bleached kraft pulp (BKP), refined softwood BKP, and hardwood BKP. The morphology of the fibers, fibers properties, fiber surface components and relative bonded area of sheets were investigated. Multi-linear regression equations of tensile strength ...